O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate
TL;DR: O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate (CAS 90730-92-0) is a chemical compound with molecular formula C12H30N2O6PS2+ and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(dimethylamino)ethoxy-oxophosphaniumyl]sulfanylethyl-diethyl-methylazanium;methyl sulfate
Also Known As: Ta-S-N+, O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate, 2-[2-(dimethylamino)ethoxy-oxophosphaniumyl]sulfanylethyl-diethyl-methylazanium;methyl sulfate, Ethanaminium, N,N-diethyl-2-(((dimethylamino)ethoxyphosphinyl)thio)-N-methyl-, methyl sulfate, O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate methylsulfomethylate
| Molecular Formula | C12H30N2O6PS2+ |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 1.5346 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 393.1283 |
| Heavy Atoms | 23 |
| Complexity | 415.774 |
Chemical Identifiers
| CAS Number | 90730-92-0 |
|---|---|
| SMILES | CC[N+](C)(CC)CCS[P+](=O)OCCN(C)C.COS(=O)(=O)[O-] |
Product Overview
O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate (CAS 90730-92-0), with molecular formula C12H30N2O6PS2+ and molecular weight 393.13 g/mol. IUPAC: 2-[2-(dimethylamino)ethoxy-oxophosphaniumyl]sulfanylethyl-diethyl-methylazanium;methyl sulfate.
Chemical Property Profile of O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate
Property Insights of O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate
The XLogP value of 1.5346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate. Following Lipinski's Rule of Five, O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate?
The CAS number of O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate is 90730-92-0.
What is the molecular formula of O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate?
The molecular formula of O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate is C12H30N2O6PS2+.
What is the molecular weight of O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate?
The molecular weight of O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate is 393.13 g/mol.
Where can I buy O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate?
You can request a quote for O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl N,N-dimethylamino-S-(2-diethylaminoethyl)thiophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.